AG002J6D

20766-85-2 | Hexanoic acid, 6-​[(1-​oxo-​2-​propen-​1-​yl)​amino]​-

AG002J6D

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CAS Number	20766-85-2
Catalog Number	AG002J6D(AGN-PC-0JP122)
Chemical Name	Hexanoic acid, 6-​[(1-​oxo-​2-​propen-​1-​yl)​amino]​-
IUPAC Name	6-(prop-2-enoylamino)hexanoic acid
InChI	InChI=1S/C9H15NO3/c1-2-8(11)10-7-5-3-4-6-9(12)13/h2H,1,3-7H2,(H,10,11)(H,12,13)
InChI Key	SAQWCPXBLNGTCC-UHFFFAOYSA-N
MDL Number	MFCD06804452
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
NSC Number	288649
SMILES	C(=O)(NCCCCCC(=O)O)C=C
Synonyms	6-Acrylamidohexanoic Acid, 20766-85-2, 6-(prop-2-enoylamino)hexanoic acid, 6-ACRYLAMIDOHEXANOICACID, NSC288649, 6-acryloylaminocaproic Acid, ACMC-1CE67, 6-acryloylamino-hexanoic acid, SCHEMBL707155, 6-(Acryloylamino)hexanoic acid, N-acryloyl 6-aminocaproic acid, AC1L8A43, N-Acryloyl-6-aminocaproic Acid, CTK1A5088, DTXSID60314796, SAQWCPXBLNGTCC-UHFFFAOYSA-N, ZINC1565130, ANW-24208, MFCD06804452, AKOS000189719, NSC-288649, ACM20766852, KS-0000147I, 6-(PROP-2-ENAMIDO)HEXANOIC ACID, AS-10462, TC-112953, FT-0713361, Hexanoic acid, 6-[(1-oxo-2-propen-1-yl)amino]-, I04-1591, CID324200, A1896, 6-[(1-oxo-2-propen-1-yl)amino]Hexanoic acid,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.223g/mol
Monoisotopic Mass	185.105g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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